N-[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-4-guanidino-butyl]benzamide CAS Name: N-[1-[[1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide IUPAC Name: N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide Traditional Name: N-[1-[[1-carbamoyl-3-(methylthio)propyl]carbamoyl]-4-guanidino-butyl]benzamide Formula: C18H28N6O3S MolecularWeight: 408.51832

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H28N6O3S/c1-28-11-9-13(15(19)25)23-17(27)14(8-5-10-22-18(20)21)24-16(26)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,19,25)(H,23,27)(H,24,26)(H4,20,21,22)