1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methyleneamino]-1-methyl-thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-indolyl]methylideneamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methyleneamino]-1-methyl-thiourea Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)N=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)/N=C\C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C21H21N5S/c1-25(21(27)23-14-17-8-3-2-4-9-17)24-15-18-16-26(13-7-12-22)20-11-6-5-10-19(18)20/h2-6,8-11,15-16H,7,13-14H2,1H3,(H,23,27)/b24-15-