3-(1H-benzimidazol-2-ylamino)-1-(1-pyrrolidin-1-ylethyl)-1-(1,3-thiazol-4-ylmethyl)thiourea

Systemtic Name: 3-(1H-benzimidazol-2-ylamino)-1-(1-pyrrolidin-1-ylethyl)-1-(1,3-thiazol-4-ylmethyl)thiourea Openeye Name: 3-(1H-benzimidazol-2-ylamino)-1-(1-pyrrolidin-1-ylethyl)-1-(thiazol-4-ylmethyl)thiourea CAS Name: 3-(1H-benzimidazol-2-ylamino)-1-[1-(1-pyrrolidinyl)ethyl]-1-(4-thiazolylmethyl)thiourea IUPAC Name: 3-(1H-benzimidazol-2-ylamino)-1-(1-pyrrolidin-1-ylethyl)-1-(1,3-thiazol-4-ylmethyl)thiourea Traditional Name: 3-(1H-benzimidazol-2-ylamino)-1-(1-pyrrolidinoethyl)-1-(thiazol-4-ylmethyl)thiourea Formula: C18H23N7S2 MolecularWeight: 401.55212

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCC1)N(CC2=CSC=N2)C(=S)NNC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(N1CCCC1)N(CC2=CSC=N2)C(=S)NNC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H23N7S2/c1-13(24-8-4-5-9-24)25(10-14-11-27-12-19-14)18(26)23-22-17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,23,26)(H2,20,21,22)