methyl N-cyano-N'-[3-(10H-indolo[3,2-b]quinolin-11-ylamino)propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-(10H-indolo[3,2-b]quinolin-11-ylamino)propyl]carbamimidothioate Openeye Name: 1-cyano-3-[3-(10H-indolo[3,2-b]quinolin-11-ylamino)propyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[3-(10H-indolo[3,2-b]quinolin-11-ylamino)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-(10H-indolo[3,2-b]quinolin-11-ylamino)propyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[3-(10H-quindolin-11-ylamino)propyl]isothiourea Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCNC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2)NC#N

Isomeric SMILES

CSC(=NCCCNC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2)NC#N

InChI

InChI=1S/C21H20N6S/c1-28-21(25-13-22)24-12-6-11-23-18-14-7-2-4-9-16(14)26-19-15-8-3-5-10-17(15)27-20(18)19/h2-5,7-10,27H,6,11-12H2,1H3,(H,23,26)(H,24,25)