1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]thiourea CAS Name: 1-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]thiourea Formula: C18H21N3OS2 MolecularWeight: 359.50884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS2/c1-12-7-8-15-14(9-12)10-16(24-15)17(22)20-21-18(23)19-11-13-5-3-2-4-6-13/h2-6,10,12H,7-9,11H2,1H3,(H,20,22)(H2,19,21,23)