2-azanyl-N-[1-azanyl-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]-N-naphthalen-1-ylsulfonyl-pentanamide

Systemtic Name: 2-azanyl-N-[1-azanyl-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]-N-naphthalen-1-ylsulfonyl-pentanamide Openeye Name: 2-amino-N-[2-amino-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-N-(1-naphthylsulfonyl)pentanamide CAS Name: 2-amino-N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-N-(1-naphthalenylsulfonyl)pentanamide IUPAC Name: 2-amino-N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-N-naphthalen-1-ylsulfonylpentanamide Traditional Name: 2-amino-N-[2-amino-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]-5-guanidino-N-(1-naphthylsulfonyl)valeramide Formula: C27H30N6O4S2 MolecularWeight: 566.6949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(C(CC3=CSC4=CC=CC=C43)C(=O)N)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(C(CC3=CSC4=CC=CC=C43)C(=O)N)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C27H30N6O4S2/c28-21(11-6-14-32-27(30)31)26(35)33(39(36,37)24-13-5-8-17-7-1-2-10-20(17)24)22(25(29)34)15-18-16-38-23-12-4-3-9-19(18)23/h1-5,7-10,12-13,16,21-22H,6,11,14-15,28H2,(H2,29,34)(H4,30,31,32)