1-(azepan-1-ylcarbothioylamino)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(azepan-1-ylcarbothioylamino)-3-(phenylmethyl)thiourea Openeye Name: 1-(azepane-1-carbothioylamino)-3-benzyl-thiourea CAS Name: 1-[[1-azepanyl(sulfanylidene)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-(azepane-1-carbothioylamino)-3-benzylthiourea Traditional Name: 1-(azepane-1-carbothioylamino)-3-benzyl-thiourea Formula: C15H22N4S2 MolecularWeight: 322.49198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=S)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C15H22N4S2/c20-14(16-12-13-8-4-3-5-9-13)17-18-15(21)19-10-6-1-2-7-11-19/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,21)(H2,16,17,20)