N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-5-bromanyl-3-methyl-1H-indole-2-carboxamide

Systemtic Name: N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-5-bromanyl-3-methyl-1H-indole-2-carboxamide Openeye Name: 5-bromo-N-(1-carbamoyl-4-guanidino-butyl)-3-methyl-1H-indole-2-carboxamide CAS Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-bromo-3-methyl-1H-indole-2-carboxamide IUPAC Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-bromo-3-methyl-1H-indole-2-carboxamide Traditional Name: 5-bromo-N-(1-carbamoyl-4-guanidino-butyl)-3-methyl-1H-indole-2-carboxamide Formula: C16H21BrN6O2 MolecularWeight: 409.28094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)Br)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)Br)C(=O)NC(CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C16H21BrN6O2/c1-8-10-7-9(17)4-5-11(10)22-13(8)15(25)23-12(14(18)24)3-2-6-21-16(19)20/h4-5,7,12,22H,2-3,6H2,1H3,(H2,18,24)(H,23,25)(H4,19,20,21)